6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

C7H11N3O — CID 58333836

IUPAC6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCc2c([nH][nH]c2=O)C1
InChIInChI=1S/C7H11N3O/c1-10-3-2-5-6(4-10)8-9-7(5)11/h2-4H2,1H3,(H2,8,9,11)
InChIKeyWIJZSSJHPQPAAL-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.31
Rot. Bonds

About 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 58333836) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID58333836
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCc2c([nH][nH]c2=O)C1
InChIInChI=1S/C7H11N3O/c1-10-3-2-5-6(4-10)8-9-7(5)11/h2-4H2,1H3,(H2,8,9,11)
InChIKeyWIJZSSJHPQPAAL-UHFFFAOYSA-N
XLogP-0.31
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 58333836) is 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is CN1CCc2c([nH][nH]c2=O)C1.
What is the InChIKey of 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is WIJZSSJHPQPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-3-2-5-6(4-10)8-9-7(5)11/h2-4H2,1H3,(H2,8,9,11).
What are the key properties of 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 58333836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).